2'-C-Methyl-3'-O-L-Valylcytidine

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Properties Simple | Detailed

Formula C15H24N4O6
IUPAC Name [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyl-tetrahydrofuran-3-yl] (2s)-2-amino-3-methyl-butanoate
Molecular Mass 356.374 g·mol−1
Heat of Formation -1041.1 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 416.99 Å 3
Surface Area 341.44 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-butyric acid [(2r,3r,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-4-methyl-2-methylol-tetrahydrofuran-3-yl] ester
  • (2s)-2-amino-3-methylbutanoic acid [(2r,3r,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-4-methyl-3-tetrahydrofuranyl] ester
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyl-oxolan-3-yl] (2s)-2-amino-3-methyl-butanoate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyl-tetrahydrofuran-3-yl] (2s)-2-amino-3-methyl-butanoate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2s)-2-amino-3-methylbutanoate
  • nm-283
  • nmc-283
  • val-mcyd
InChIKey TVRCRTJYMVTEFS-ICGCPXGVSA-N
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